In this paper, the possibility of applying graph neural networks (NN) to study the structure of copper centers of zeolites is considered. The dataset used for NN training was prepared using the FDMNES software based on the finite difference method and included more than 2100 Cu K-XANES spectra for Cu-MOR. The performed study demonstrated the capability of graph neural networks to reproduce the Cu K-XANES spectrum corresponding to a particular model of the copper center in the zeolite framework.
Keywords: zeolite, mordenite, atomic structure, XANES, machine learning, graph neural networks
An overview of methods for assessing the state of the environment is presented. The study of methods for assessing the state of the environment and the impact of production facilities is the most important factor contributing to reducing the negative impact on the environment. An example of a comprehensive assessment of atmospheric air in the Motovilikhinsky district of Perm using the Jobs-Decon software package is considered.
Keywords: ecology, environment, subject-oriented management, production facilities, assessment, Jobs-Decon, environmental pollution
Studies of the possibilities of BIM modeling in the field of ventilation systems design show that the current level of development of BIM technologies allows for aerodynamic calculation. An example of software with such capabilities is Autodesk Revit. This article provides a comparative analysis of two calculation methods: according to the standard methodology and the Colebrook formula, calculated on Revit software. The calculation error was 14.08%, which does not exceed the permissible value of 15%. Thus, the prospects of using the Revit program to perform aerodynamic calculations are shown.
Keywords: BIM-modeling, ventilation systems, 3D design, Autodesk Revit, aerodynamic calculation, BIM-technologies, information modeling
The enormous wood resources of the forests of Russia and foreign experience indicate the need for innovative development of the country's forest industry. In this regard, it is necessary to determine the most promising areas for the development of logging. The results of the system analysis revealed the universities that are most actively involved in research and development in the forest industry, as well as important areas of this research and development.
Keywords: research and development, forest industry, scientific and technical information, development directions, system analysis